carboxy 3-(4-chlorophenyl)-3a,4-diethyl-7a-pyrrolidin-1-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-5-carboxylate

Systemtic Name: carboxy 3-(4-chlorophenyl)-3a,4-diethyl-7a-pyrrolidin-1-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-5-carboxylate Openeye Name: carboxy 3-(4-chlorophenyl)-3a,4-diethyl-7a-pyrrolidin-1-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-5-carboxylate CAS Name: 3-(4-chlorophenyl)-3a,4-diethyl-7a-(1-pyrrolidinyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-5-carboxylic acid carboxy ester IUPAC Name: carboxy 3-(4-chlorophenyl)-3a,4-diethyl-7a-pyrrolidin-1-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-5-carboxylate Traditional Name: 3-(4-chlorophenyl)-3a,4-diethyl-7a-pyrrolidino-4,5,6,7-tetrahydroindoxazene-5-carboxylic acid carboxy ester Formula: C23H29ClN2O5 MolecularWeight: 448.93976

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CCC2(C1(C(=NO2)C3=CC=C(C=C3)Cl)CC)N4CCCC4)C(=O)OC(=O)O

Isomeric SMILES

CCC1C(CCC2(C1(C(=NO2)C3=CC=C(C=C3)Cl)CC)N4CCCC4)C(=O)OC(=O)O

InChI

InChI=1S/C23H29ClN2O5/c1-3-18-17(20(27)30-21(28)29)11-12-23(26-13-5-6-14-26)22(18,4-2)19(25-31-23)15-7-9-16(24)10-8-15/h7-10,17-18H,3-6,11-14H2,1-2H3,(H,28,29)